Atomic Orbitals and Nodes - Revision history

Cmditradmin: /* Atomic Orbitals */

2011-05-26T20:25:08Z

Atomic Orbitals

← Older revision		Revision as of 13:25, 26 May 2011
Line 20:		Line 20:
	The integral of the wavefunction over a volume gives the enclosed electron density within that volume. The most likely position to find the 1s electron is at the nucleus.However the most likely radius is at some distance from the nucleus. The graph of wavefunction vs distance falls off exponentially as you move away from the nucleus. The electron density builds quadratically with distance from the nuclues. The peak electron density will be the product of the these two functions. This results in a curve with a density peak at a certain distance. Wavefunctions alone do not tell you the electron density.		The integral of the wavefunction over a volume gives the enclosed electron density within that volume. The most likely position to find the 1s electron is at the nucleus.However the most likely radius is at some distance from the nucleus. The graph of wavefunction vs distance falls off exponentially as you move away from the nucleus. The electron density builds quadratically with distance from the nuclues. The peak electron density will be the product of the these two functions. This results in a curve with a density peak at a certain distance. Wavefunctions alone do not tell you the electron density.
	<br clear='all'>		<br clear='all'>
	[[Image:~~500px-~~S-p-Orbitals.svg~~.png~~\|thumb\|300px\|Approximate shape of atomic orbitals viewed as a surface.]]		[[Image:S-p-Orbitals.svg\|thumb\|300px\|Approximate shape of atomic orbitals viewed as a surface.]]

	=== Orbital nodes ===		=== Orbital nodes ===

Cmditradmin: /* Atomic Orbitals */

2011-05-26T20:21:26Z

Atomic Orbitals

← Older revision		Revision as of 13:21, 26 May 2011
Line 20:		Line 20:
	The integral of the wavefunction over a volume gives the enclosed electron density within that volume. The most likely position to find the 1s electron is at the nucleus.However the most likely radius is at some distance from the nucleus. The graph of wavefunction vs distance falls off exponentially as you move away from the nucleus. The electron density builds quadratically with distance from the nuclues. The peak electron density will be the product of the these two functions. This results in a curve with a density peak at a certain distance. Wavefunctions alone do not tell you the electron density.		The integral of the wavefunction over a volume gives the enclosed electron density within that volume. The most likely position to find the 1s electron is at the nucleus.However the most likely radius is at some distance from the nucleus. The graph of wavefunction vs distance falls off exponentially as you move away from the nucleus. The electron density builds quadratically with distance from the nuclues. The peak electron density will be the product of the these two functions. This results in a curve with a density peak at a certain distance. Wavefunctions alone do not tell you the electron density.
	<br clear='all'>		<br clear='all'>
	[[Image:~~800px~~-S-p-Orbitals.png\|thumb\|300px\|Approximate shape of atomic orbitals viewed as a surface.]]		[[Image:500px-S-p-Orbitals.svg.png\|thumb\|300px\|Approximate shape of atomic orbitals viewed as a surface.]]

	=== Orbital nodes ===		=== Orbital nodes ===

Cmditradmin at 20:19, 26 May 2011

2011-05-26T20:19:42Z

← Older revision		Revision as of 13:19, 26 May 2011
Line 20:		Line 20:
	The integral of the wavefunction over a volume gives the enclosed electron density within that volume. The most likely position to find the 1s electron is at the nucleus.However the most likely radius is at some distance from the nucleus. The graph of wavefunction vs distance falls off exponentially as you move away from the nucleus. The electron density builds quadratically with distance from the nuclues. The peak electron density will be the product of the these two functions. This results in a curve with a density peak at a certain distance. Wavefunctions alone do not tell you the electron density.		The integral of the wavefunction over a volume gives the enclosed electron density within that volume. The most likely position to find the 1s electron is at the nucleus.However the most likely radius is at some distance from the nucleus. The graph of wavefunction vs distance falls off exponentially as you move away from the nucleus. The electron density builds quadratically with distance from the nuclues. The peak electron density will be the product of the these two functions. This results in a curve with a density peak at a certain distance. Wavefunctions alone do not tell you the electron density.
	<br clear='all'>		<br clear='all'>
	[[Image:800px-S-p-Orbitals~~.svg~~.png\|thumb\|300px\|Approximate shape of atomic orbitals viewed as a surface.]]		[[Image:800px-S-p-Orbitals.png\|thumb\|300px\|Approximate shape of atomic orbitals viewed as a surface.]]

	=== Orbital nodes ===		=== Orbital nodes ===

Cmditradmin: /* Bridging the Language Barrier */

2010-08-19T22:00:26Z

Bridging the Language Barrier

← Older revision		Revision as of 15:00, 19 August 2010
Line 146:		Line 146:


	~~{{author~~
	~~\|AuthorFullName= Bredas, Jean-Luc~~
	~~\|AuthorName=Bredas}}~~

	<br clear='all'>		<br clear='all'>

Cmditradmin: /* Bridging the Language Barrier */

2010-08-19T21:46:39Z

Bridging the Language Barrier

← Older revision		Revision as of 14:46, 19 August 2010
Line 147:		Line 147:

	{{author		{{author
	~~\|AuthorID=16480~~
	\|AuthorFullName= Bredas, Jean-Luc		\|AuthorFullName= Bredas, Jean-Luc
	\|AuthorName=Bredas}}		\|AuthorName=Bredas}}

Cmditradmin: /* Bridging the Language Barrier */

2010-08-19T21:26:23Z

Bridging the Language Barrier

← Older revision		Revision as of 14:26, 19 August 2010
Line 144:		Line 144:

	\|}		\|}


	{{author		{{author

Cmditradmin: /* Bridging the Language Barrier */

2010-08-19T21:25:28Z

Bridging the Language Barrier

← Older revision		Revision as of 14:25, 19 August 2010
Line 144:		Line 144:

	\|}		\|}

			{{author
			\|AuthorID=16480
			\|AuthorFullName= Bredas, Jean-Luc
			\|AuthorName=Bredas}}

	<br clear='all'>		<br clear='all'>

Cmditradmin: Reverted edits by Cmditradmin (Talk) to last revision by Nsylvain

2010-06-23T16:29:12Z

Reverted edits by Cmditradmin (Talk) to last revision by Nsylvain

← Older revision		Revision as of 09:29, 23 June 2010
Line 4:		Line 4:
	<td style="text-align: center; width: 33%">[[Main_Page#Molecular Orbitals\|Return to Molecular Orbitals Menu]]</td>		<td style="text-align: center; width: 33%">[[Main_Page#Molecular Orbitals\|Return to Molecular Orbitals Menu]]</td>
	<td style="text-align: right; width: 33%">[[Electronegativity and Bonding Between Atoms\|Next Topic]]</td>		<td style="text-align: right; width: 33%">[[Electronegativity and Bonding Between Atoms\|Next Topic]]</td>

	</tr>		</tr>
	</table>		</table>
	~~[http://depts.washington.edu/cmditr/media/Molecular_orbitals.html Molecular Orbitals Concept Map]~~

	~~Atomic orbitals are important because they determine the distribution of electrons in molecules, which in turn determines the electronic and optical properties of materials.~~

	[[Image:Wavefunction.jpg\|thumb\|300px\|Electron Probability, peak density and electron density as a function of distance from the nucleus.]]		[[Image:Wavefunction.jpg\|thumb\|300px\|Electron Probability, peak density and electron density as a function of distance from the nucleus.]]

	=== Atomic Orbitals ===		=== Atomic Orbitals ===
	Atomic orbitals are wave functions that are solutions to the Schrödinger equation. This equation ~~describes~~ the wave functions and associated energies in atomic orbitals.
			Orbitals are important because they determine the distribution of electrons in molecules, which in turn determines the electronic and optical properties of materials.
			Atomic orbitals are wave functions that are solutions to the Schrödinger equation. This equation allows us to figure out the wave functions and associated energies in atomic orbitals.

	The square of the wave function gives the probability of finding an electron at a certain point.		The square of the wave function gives the probability of finding an electron at a certain point.

	The integral of the ~~wave function~~ over a volume gives the enclosed electron density within that volume. The most likely position to find the 1s electron is at the nucleus. However the most likely radius is at some distance from the nucleus. The graph of ~~wave function~~ vs distance falls off exponentially ~~moving~~ away from the nucleus. The electron density builds quadratically with distance from the ~~nucleus~~. The peak electron density will be the product of the these two functions. This results in a curve with a density peak at a certain distance. ~~Wave functions~~ alone do not ~~describe~~ the electron density.		The integral of the wavefunction over a volume gives the enclosed electron density within that volume. The most likely position to find the 1s electron is at the nucleus.However the most likely radius is at some distance from the nucleus. The graph of wavefunction vs distance falls off exponentially as you move away from the nucleus. The electron density builds quadratically with distance from the nuclues. The peak electron density will be the product of the these two functions. This results in a curve with a density peak at a certain distance. Wavefunctions alone do not tell you the electron density.
	<br clear='all'>		<br clear='all'>
	[[Image:800px-S-p-Orbitals.svg.png\|thumb\|300px\|Approximate shape of atomic orbitals viewed as a surface.]]		[[Image:800px-S-p-Orbitals.svg.png\|thumb\|300px\|Approximate shape of atomic orbitals viewed as a surface.]]
Line 32:		Line 33:
	The more nodes the higher the energy of the orbitals.		The more nodes the higher the energy of the orbitals.
	The more the function varies spatially, the higher the energy.		The more the function varies spatially, the higher the energy.
	~~<br clear='all'>~~

	=== Core and valence electrons ===		=== Core and valence electrons ===
Line 110:		Line 110:
	\|}		\|}

	~~See Purdue's [http://chemed.chem.purdue.edu/genchem/topicreview/bp/ch6/quantum.html#top Quantum numbers and electron configurations]~~

	~~===Language: Bands or Molecular Orbitals ===~~
	~~'''Bridging the Language Barrier'''~~

			=== Bridging the Language Barrier ===

	In working in an interdisciplinary research its easy to get confused with different terms for the same concepts as used by physicists and organic chemists. This table might help:		In working in an interdisciplinary research its easy to get confused with different terms for the same concepts as used by physicists and organic chemists. This table might help:

	{\| ~~{{Prettytable}}~~		{\| class="wikitable" border ="1"
	\|-		\|-
	! Physicist Speak		! Physicist Speak
Line 145:		Line 144:

	\|}		\|}
	~~[[category:molecular orbitals]]~~
	<br clear='all'>		<br clear='all'>
	<table id="toc" style="width: 100%">		<table id="toc" style="width: 100%">

Cmditradmin: /* Language: Bands or Molecular Orbitals */

2010-06-23T16:28:09Z

Language: Bands or Molecular Orbitals

← Older revision		Revision as of 09:28, 23 June 2010
Line 117:		Line 117:
	In working in an interdisciplinary research its easy to get confused with different terms for the same concepts as used by physicists and organic chemists. This table might help:		In working in an interdisciplinary research its easy to get confused with different terms for the same concepts as used by physicists and organic chemists. This table might help:

	{\| ~~class="wikitable" border ="1"~~		{\| {{Prettytable}}
	\|-		\|-
	! Physicist Speak		! Physicist Speak

Cmditradmin: /* Orbital nodes */

2010-06-23T16:25:31Z

Orbital nodes

← Older revision		Revision as of 09:25, 23 June 2010
Line 32:		Line 32:
	The more nodes the higher the energy of the orbitals.		The more nodes the higher the energy of the orbitals.
	The more the function varies spatially, the higher the energy.		The more the function varies spatially, the higher the energy.
			<br clear='all'>

	=== Core and valence electrons ===		=== Core and valence electrons ===